4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine

C14H15N5O — CID 115265690

IUPAC4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccc3ncoc3c2)ncn1
InChIInChI=1S/C14H15N5O/c1-2-15-13-6-14(18-8-17-13)16-7-10-3-4-11-12(5-10)20-9-19-11/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyGGYDVWXCILVOFV-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.66
Rot. Bonds5

About 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 115265690) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID115265690
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccc3ncoc3c2)ncn1
InChIInChI=1S/C14H15N5O/c1-2-15-13-6-14(18-8-17-13)16-7-10-3-4-11-12(5-10)20-9-19-11/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyGGYDVWXCILVOFV-UHFFFAOYSA-N
XLogP2.66
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(1,3-benzoxazol-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205865
N-[2-(1,3-benzoxazol-6-yl)ethyl]-6-chloropyrimidin-4-amine
CID 135380621
6-(1,3-benzoxazol-6-yl)-N-ethylpyridazin-3-amine
CID 116973196
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925
2-[[6-(1,3-benzoxazol-6-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264789
N-(1,3-benzoxazol-6-ylmethyl)-2-chloroethanamine
CID 115214866
2-amino-N-(1,3-benzoxazol-6-ylmethyl)propanamide
CID 115152399
4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 115265694
N-(pyrimidin-5-ylmethyl)-1,3-benzoxazol-6-amine
CID 174726564
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine (CID 115265690) is 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NCc2ccc3ncoc3c2)ncn1.
What is the InChIKey of 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is GGYDVWXCILVOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-15-13-6-14(18-8-17-13)16-7-10-3-4-11-12(5-10)20-9-19-11/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 269.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzoxazol-6-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).